SCHEMBL9789549

SCHEMBL9789549

CCCC(C(=O)O)N(C)C.CCCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.42
GRIK2 Q13002 3/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC1A3 P43003 1/20 0.42
DNM1 Q05193 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL181034 0.85 GSR (0.52) SLC6A3MEN1KMT2AALDH1A1GSR
SCHEMBL181035 0.85 GSR (0.52) SLC6A3MEN1KMT2AALDH1A1GSR
SCHEMBL4735950 0.85 GSR (0.52) SLC6A3MEN1KMT2AALDH1A1GSR
SCHEMBL1320264 0.84 CHRM1 (0.56) GRIK1GRIK2SLC1A2SLC1A1CHRM1
SCHEMBL16586241 0.84 CHRM1 (0.56) GRIK1GRIK2SLC1A2SLC1A1CHRM1
Glycine SCHEMBL28134704 0.83 CHRM1 (0.46) GRIK1GRIK2SLC1A2SLC1A1CHRM1
Hydrochloric Acid SCHEMBL28300269 0.83 GSR (0.50) SLC6A3MEN1KMT2AALDH1A1GSR
Hydrochloric Acid SCHEMBL920512 0.83 GSR (0.50) SLC6A3MEN1KMT2AALDH1A1GSR
SCHEMBL9633678 0.83 SOAT1 (0.47) GRIK1GRIK2TDP1MEN1KMT2A
Octadecanoic Acid Amide SCHEMBL5575038 0.83 SOAT1 (0.47) GRIK1GRIK2TDP1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034159-A Nonionic surfactants as thickeners for cosmetics and shampoo HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-07-23 US disclosed